methyl 4-(methanesulfonamido)butanoate

C6H13NO4S — CID 60650290

IUPACmethyl 4-(methanesulfonamido)butanoate
SMILESCOC(=O)CCCNS(C)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-11-6(8)4-3-5-7-12(2,9)10/h7H,3-5H2,1-2H3
InChIKeyHRPUZSHNTAKGMG-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.51
Rot. Bonds5

About methyl 4-(methanesulfonamido)butanoate

methyl 4-(methanesulfonamido)butanoate (PubChem CID 60650290) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is methyl 4-(methanesulfonamido)butanoate.

Molecular Properties

Compound Namemethyl 4-(methanesulfonamido)butanoate
PubChem CID60650290
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Namemethyl 4-(methanesulfonamido)butanoate
SMILESCOC(=O)CCCNS(C)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-11-6(8)4-3-5-7-12(2,9)10/h7H,3-5H2,1-2H3
InChIKeyHRPUZSHNTAKGMG-UHFFFAOYSA-N
XLogP-0.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(methanesulfonamido)butanoate?
The IUPAC name of methyl 4-(methanesulfonamido)butanoate (CID 60650290) is methyl 4-(methanesulfonamido)butanoate.
What is the SMILES notation for methyl 4-(methanesulfonamido)butanoate?
The canonical SMILES for methyl 4-(methanesulfonamido)butanoate is COC(=O)CCCNS(C)(=O)=O.
What is the InChIKey of methyl 4-(methanesulfonamido)butanoate?
The InChIKey is HRPUZSHNTAKGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-11-6(8)4-3-5-7-12(2,9)10/h7H,3-5H2,1-2H3.
What are the key properties of methyl 4-(methanesulfonamido)butanoate?
methyl 4-(methanesulfonamido)butanoate has a molecular weight of 195.24 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methanesulfonamido)butanoate is sourced from PubChem (CID 60650290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).